UCSF

ZINC25392026

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 4.01 -15.72 3 7 0 104 423.922 8
Mid Mid (pH 6-8) 3.41 4.08 -45.43 2 7 -1 106 422.914 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )